USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 310 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 GLN : amide:sc= 0 X(o=0,f=0.096) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 6 GLN : amide:sc= -0.223 K(o=-0.22,f=-1) USER MOD Single : A 12 ASN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 74:sc= 0.262 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.127 F(o=-0.78,f=-0.13) USER MOD Single : A 32 ASN : amide:sc= -0.447 K(o=-0.45,f=-3.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.914 7.785 0.908 1.00 0.00 N ATOM 2 CA MET A 1 -2.177 6.877 1.778 1.00 0.00 C ATOM 3 C MET A 1 -1.573 5.728 0.977 1.00 0.00 C ATOM 4 O MET A 1 -1.815 4.557 1.274 1.00 0.00 O ATOM 5 CB MET A 1 -3.096 6.325 2.870 1.00 0.00 C ATOM 6 CG MET A 1 -2.350 5.830 4.099 1.00 0.00 C ATOM 7 SD MET A 1 -3.422 5.656 5.538 1.00 0.00 S ATOM 8 CE MET A 1 -4.260 4.120 5.153 1.00 0.00 C ATOM 0 H1 MET A 1 -3.316 8.559 1.475 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.271 8.178 0.192 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.682 7.266 0.436 1.00 0.00 H new ATOM 0 HA MET A 1 -1.367 7.437 2.244 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.798 7.103 3.170 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.685 5.506 2.458 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.888 4.868 3.876 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.543 6.524 4.334 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.960 3.877 5.953 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.804 4.228 4.215 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.526 3.319 5.057 1.00 0.00 H new ATOM 18 N ILE A 2 -0.786 6.069 -0.038 1.00 0.00 N ATOM 19 CA ILE A 2 -0.147 5.066 -0.880 1.00 0.00 C ATOM 20 C ILE A 2 1.354 5.006 -0.621 1.00 0.00 C ATOM 21 O ILE A 2 1.980 3.956 -0.766 1.00 0.00 O ATOM 22 CB ILE A 2 -0.388 5.349 -2.374 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.223 4.239 -3.231 1.00 0.00 C ATOM 24 CG2 ILE A 2 0.193 6.702 -2.757 1.00 0.00 C ATOM 25 CD1 ILE A 2 -0.664 3.800 -4.375 1.00 0.00 C ATOM 0 H ILE A 2 -0.576 7.033 -0.297 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.596 4.106 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.463 5.372 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.176 4.584 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.437 3.378 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.015 6.888 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.285 7.484 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.266 6.705 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.167 3.011 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.608 3.424 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.858 4.648 -5.031 1.00 0.00 H new ATOM 37 N THR A 3 1.928 6.141 -0.234 1.00 0.00 N ATOM 38 CA THR A 3 3.356 6.219 0.047 1.00 0.00 C ATOM 39 C THR A 3 3.631 6.096 1.541 1.00 0.00 C ATOM 40 O THR A 3 4.640 6.594 2.040 1.00 0.00 O ATOM 41 CB THR A 3 3.959 7.540 -0.467 1.00 0.00 C ATOM 42 OG1 THR A 3 3.102 8.635 -0.125 1.00 0.00 O ATOM 43 CG2 THR A 3 4.155 7.496 -1.975 1.00 0.00 C ATOM 0 H THR A 3 1.425 7.019 -0.108 1.00 0.00 H new ATOM 0 HA THR A 3 3.826 5.386 -0.476 1.00 0.00 H new ATOM 0 HB THR A 3 4.931 7.678 0.006 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.493 9.471 -0.454 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.582 8.440 -2.314 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.831 6.680 -2.230 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.193 7.337 -2.462 1.00 0.00 H new ATOM 51 N ASP A 4 2.727 5.429 2.251 1.00 0.00 N ATOM 52 CA ASP A 4 2.872 5.239 3.689 1.00 0.00 C ATOM 53 C ASP A 4 3.450 3.862 3.999 1.00 0.00 C ATOM 54 O ASP A 4 3.199 3.297 5.064 1.00 0.00 O ATOM 55 CB ASP A 4 1.522 5.408 4.387 1.00 0.00 C ATOM 56 CG ASP A 4 1.613 6.285 5.620 1.00 0.00 C ATOM 57 OD1 ASP A 4 2.310 7.320 5.561 1.00 0.00 O ATOM 58 OD2 ASP A 4 0.988 5.937 6.644 1.00 0.00 O ATOM 0 H ASP A 4 1.886 5.011 1.853 1.00 0.00 H new ATOM 0 HA ASP A 4 3.562 5.996 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.807 5.842 3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.137 4.428 4.669 1.00 0.00 H new ATOM 63 N VAL A 5 4.226 3.326 3.062 1.00 0.00 N ATOM 64 CA VAL A 5 4.840 2.015 3.235 1.00 0.00 C ATOM 65 C VAL A 5 6.000 2.078 4.222 1.00 0.00 C ATOM 66 O VAL A 5 6.468 1.049 4.710 1.00 0.00 O ATOM 67 CB VAL A 5 5.351 1.454 1.895 1.00 0.00 C ATOM 68 CG1 VAL A 5 6.488 2.308 1.356 1.00 0.00 C ATOM 69 CG2 VAL A 5 5.791 0.007 2.057 1.00 0.00 C ATOM 0 H VAL A 5 4.444 3.780 2.175 1.00 0.00 H new ATOM 0 HA VAL A 5 4.068 1.353 3.627 1.00 0.00 H new ATOM 0 HB VAL A 5 4.534 1.483 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.835 1.895 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.135 3.327 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.310 2.314 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.149 -0.374 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.593 -0.049 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.947 -0.595 2.394 1.00 0.00 H new ATOM 79 N GLN A 6 6.458 3.291 4.513 1.00 0.00 N ATOM 80 CA GLN A 6 7.564 3.487 5.443 1.00 0.00 C ATOM 81 C GLN A 6 7.184 3.024 6.845 1.00 0.00 C ATOM 82 O GLN A 6 7.961 2.345 7.518 1.00 0.00 O ATOM 83 CB GLN A 6 7.977 4.960 5.474 1.00 0.00 C ATOM 84 CG GLN A 6 8.047 5.601 4.097 1.00 0.00 C ATOM 85 CD GLN A 6 8.871 4.789 3.117 1.00 0.00 C ATOM 86 OE1 GLN A 6 8.437 4.523 1.995 1.00 0.00 O ATOM 87 NE2 GLN A 6 10.066 4.390 3.535 1.00 0.00 N ATOM 0 H GLN A 6 6.081 4.153 4.118 1.00 0.00 H new ATOM 0 HA GLN A 6 8.407 2.888 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.268 5.515 6.088 1.00 0.00 H new ATOM 0 HB3 GLN A 6 8.951 5.046 5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.037 5.721 3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.475 6.599 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 6 10.386 4.633 4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.665 3.840 2.919 1.00 0.00 H new ATOM 96 N LEU A 7 5.986 3.395 7.282 1.00 0.00 N ATOM 97 CA LEU A 7 5.503 3.018 8.605 1.00 0.00 C ATOM 98 C LEU A 7 5.563 1.505 8.796 1.00 0.00 C ATOM 99 O LEU A 7 5.793 1.018 9.903 1.00 0.00 O ATOM 100 CB LEU A 7 4.069 3.512 8.807 1.00 0.00 C ATOM 101 CG LEU A 7 3.338 2.970 10.036 1.00 0.00 C ATOM 102 CD1 LEU A 7 2.959 4.104 10.974 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.104 2.184 9.619 1.00 0.00 C ATOM 0 H LEU A 7 5.331 3.957 6.739 1.00 0.00 H new ATOM 0 HA LEU A 7 6.150 3.486 9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.087 4.600 8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.489 3.254 7.921 1.00 0.00 H new ATOM 0 HG LEU A 7 4.010 2.296 10.567 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.440 3.699 11.843 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.860 4.624 11.299 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.305 4.803 10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.596 1.806 10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.428 2.835 9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.402 1.347 8.987 1.00 0.00 H new ATOM 115 N ALA A 8 5.356 0.768 7.710 1.00 0.00 N ATOM 116 CA ALA A 8 5.392 -0.688 7.757 1.00 0.00 C ATOM 117 C ALA A 8 6.672 -1.185 8.420 1.00 0.00 C ATOM 118 O ALA A 8 6.663 -2.190 9.132 1.00 0.00 O ATOM 119 CB ALA A 8 5.263 -1.265 6.355 1.00 0.00 C ATOM 0 H ALA A 8 5.162 1.156 6.787 1.00 0.00 H new ATOM 0 HA ALA A 8 4.548 -1.028 8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.291 -2.353 6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.317 -0.947 5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.088 -0.909 5.738 1.00 0.00 H new ATOM 125 N ILE A 9 7.770 -0.476 8.181 1.00 0.00 N ATOM 126 CA ILE A 9 9.057 -0.846 8.756 1.00 0.00 C ATOM 127 C ILE A 9 9.051 -0.677 10.272 1.00 0.00 C ATOM 128 O ILE A 9 9.751 -1.392 10.990 1.00 0.00 O ATOM 129 CB ILE A 9 10.202 -0.005 8.162 1.00 0.00 C ATOM 130 CG1 ILE A 9 10.211 -0.122 6.636 1.00 0.00 C ATOM 131 CG2 ILE A 9 11.538 -0.445 8.740 1.00 0.00 C ATOM 132 CD1 ILE A 9 11.230 0.774 5.967 1.00 0.00 C ATOM 0 H ILE A 9 7.794 0.357 7.593 1.00 0.00 H new ATOM 0 HA ILE A 9 9.222 -1.895 8.510 1.00 0.00 H new ATOM 0 HB ILE A 9 10.041 1.040 8.427 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.413 -1.157 6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.219 0.122 6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.337 0.159 8.310 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.527 -0.315 9.822 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.709 -1.495 8.503 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.180 0.639 4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.017 1.814 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 9 12.229 0.516 6.319 1.00 0.00 H new ATOM 144 N PHE A 10 8.256 0.272 10.753 1.00 0.00 N ATOM 145 CA PHE A 10 8.157 0.535 12.184 1.00 0.00 C ATOM 146 C PHE A 10 7.189 -0.438 12.850 1.00 0.00 C ATOM 147 O PHE A 10 7.328 -0.758 14.030 1.00 0.00 O ATOM 148 CB PHE A 10 7.702 1.975 12.429 1.00 0.00 C ATOM 149 CG PHE A 10 7.993 2.467 13.818 1.00 0.00 C ATOM 150 CD1 PHE A 10 9.207 3.066 14.114 1.00 0.00 C ATOM 151 CD2 PHE A 10 7.053 2.332 14.827 1.00 0.00 C ATOM 152 CE1 PHE A 10 9.478 3.519 15.392 1.00 0.00 C ATOM 153 CE2 PHE A 10 7.318 2.784 16.106 1.00 0.00 C ATOM 154 CZ PHE A 10 8.532 3.379 16.388 1.00 0.00 C ATOM 0 H PHE A 10 7.670 0.872 10.173 1.00 0.00 H new ATOM 0 HA PHE A 10 9.144 0.394 12.624 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.193 2.630 11.710 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.630 2.045 12.244 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.950 3.180 13.338 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.102 1.868 14.611 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.429 3.982 15.611 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.577 2.672 16.884 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.741 3.734 17.386 1.00 0.00 H new ATOM 164 N ALA A 11 6.207 -0.903 12.085 1.00 0.00 N ATOM 165 CA ALA A 11 5.216 -1.840 12.599 1.00 0.00 C ATOM 166 C ALA A 11 5.739 -3.271 12.558 1.00 0.00 C ATOM 167 O ALA A 11 5.541 -4.042 13.496 1.00 0.00 O ATOM 168 CB ALA A 11 3.921 -1.726 11.808 1.00 0.00 C ATOM 0 H ALA A 11 6.077 -0.646 11.107 1.00 0.00 H new ATOM 0 HA ALA A 11 5.017 -1.584 13.640 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.190 -2.432 12.203 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.530 -0.712 11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.114 -1.952 10.759 1.00 0.00 H new ATOM 174 N ASN A 12 6.408 -3.620 11.464 1.00 0.00 N ATOM 175 CA ASN A 12 6.960 -4.960 11.300 1.00 0.00 C ATOM 176 C ASN A 12 8.032 -5.239 12.349 1.00 0.00 C ATOM 177 O ASN A 12 8.134 -6.352 12.866 1.00 0.00 O ATOM 178 CB ASN A 12 7.548 -5.124 9.897 1.00 0.00 C ATOM 179 CG ASN A 12 7.275 -6.496 9.312 1.00 0.00 C ATOM 180 OD1 ASN A 12 8.199 -7.260 9.035 1.00 0.00 O ATOM 181 ND2 ASN A 12 6.000 -6.814 9.120 1.00 0.00 N ATOM 0 H ASN A 12 6.581 -2.994 10.678 1.00 0.00 H new ATOM 0 HA ASN A 12 6.151 -5.678 11.434 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.130 -4.362 9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.624 -4.956 9.935 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.755 -7.723 8.728 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.266 -6.149 9.364 1.00 0.00 H new ATOM 188 N MET A 13 8.828 -4.222 12.658 1.00 0.00 N ATOM 189 CA MET A 13 9.892 -4.357 13.647 1.00 0.00 C ATOM 190 C MET A 13 9.314 -4.467 15.055 1.00 0.00 C ATOM 191 O MET A 13 9.848 -5.184 15.902 1.00 0.00 O ATOM 192 CB MET A 13 10.847 -3.166 13.567 1.00 0.00 C ATOM 193 CG MET A 13 12.310 -3.548 13.725 1.00 0.00 C ATOM 194 SD MET A 13 12.707 -4.098 15.396 1.00 0.00 S ATOM 195 CE MET A 13 12.914 -2.526 16.230 1.00 0.00 C ATOM 0 H MET A 13 8.757 -3.295 12.238 1.00 0.00 H new ATOM 0 HA MET A 13 10.444 -5.271 13.427 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.712 -2.666 12.608 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.582 -2.446 14.341 1.00 0.00 H new ATOM 0 HG2 MET A 13 12.553 -4.341 13.018 1.00 0.00 H new ATOM 0 HG3 MET A 13 12.935 -2.692 13.470 1.00 0.00 H new ATOM 0 HE1 MET A 13 13.164 -2.700 17.277 1.00 0.00 H new ATOM 0 HE2 MET A 13 13.718 -1.964 15.754 1.00 0.00 H new ATOM 0 HE3 MET A 13 11.987 -1.956 16.168 1.00 0.00 H new ATOM 205 N LEU A 14 8.221 -3.752 15.298 1.00 0.00 N ATOM 206 CA LEU A 14 7.571 -3.768 16.604 1.00 0.00 C ATOM 207 C LEU A 14 7.102 -5.175 16.961 1.00 0.00 C ATOM 208 O LEU A 14 6.837 -5.476 18.124 1.00 0.00 O ATOM 209 CB LEU A 14 6.384 -2.804 16.617 1.00 0.00 C ATOM 210 CG LEU A 14 6.189 -1.996 17.901 1.00 0.00 C ATOM 211 CD1 LEU A 14 6.231 -0.505 17.605 1.00 0.00 C ATOM 212 CD2 LEU A 14 4.877 -2.372 18.573 1.00 0.00 C ATOM 0 H LEU A 14 7.766 -3.154 14.608 1.00 0.00 H new ATOM 0 HA LEU A 14 8.299 -3.447 17.349 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.499 -2.107 15.787 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.475 -3.376 16.430 1.00 0.00 H new ATOM 0 HG LEU A 14 7.005 -2.232 18.584 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.090 0.054 18.530 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.196 -0.248 17.169 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.436 -0.251 16.903 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.755 -1.788 19.485 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.049 -2.165 17.895 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.886 -3.433 18.821 1.00 0.00 H new ATOM 224 N GLY A 15 7.003 -6.034 15.951 1.00 0.00 N ATOM 225 CA GLY A 15 6.568 -7.400 16.179 1.00 0.00 C ATOM 226 C GLY A 15 7.683 -8.406 15.971 1.00 0.00 C ATOM 227 O GLY A 15 7.764 -9.409 16.681 1.00 0.00 O ATOM 0 H GLY A 15 7.216 -5.809 14.979 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.185 -7.491 17.196 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.743 -7.632 15.506 1.00 0.00 H new ATOM 231 N VAL A 16 8.544 -8.140 14.994 1.00 0.00 N ATOM 232 CA VAL A 16 9.659 -9.030 14.694 1.00 0.00 C ATOM 233 C VAL A 16 10.454 -9.358 15.953 1.00 0.00 C ATOM 234 O VAL A 16 11.094 -10.406 16.040 1.00 0.00 O ATOM 235 CB VAL A 16 10.605 -8.411 13.649 1.00 0.00 C ATOM 236 CG1 VAL A 16 11.949 -9.123 13.657 1.00 0.00 C ATOM 237 CG2 VAL A 16 9.975 -8.460 12.265 1.00 0.00 C ATOM 0 H VAL A 16 8.491 -7.315 14.397 1.00 0.00 H new ATOM 0 HA VAL A 16 9.232 -9.947 14.288 1.00 0.00 H new ATOM 0 HB VAL A 16 10.773 -7.366 13.910 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.604 -8.672 12.912 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.404 -9.031 14.643 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.804 -10.177 13.421 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.657 -8.018 11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.776 -9.496 11.992 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.040 -7.900 12.271 1.00 0.00 H new ATOM 247 N SER A 17 10.409 -8.455 16.927 1.00 0.00 N ATOM 248 CA SER A 17 11.128 -8.646 18.181 1.00 0.00 C ATOM 249 C SER A 17 10.516 -9.786 18.989 1.00 0.00 C ATOM 250 O SER A 17 11.210 -10.723 19.388 1.00 0.00 O ATOM 251 CB SER A 17 11.113 -7.357 19.004 1.00 0.00 C ATOM 252 OG SER A 17 11.522 -6.248 18.222 1.00 0.00 O ATOM 0 H SER A 17 9.882 -7.583 16.872 1.00 0.00 H new ATOM 0 HA SER A 17 12.160 -8.905 17.944 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.110 -7.182 19.393 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.774 -7.463 19.864 1.00 0.00 H new ATOM 0 HG SER A 17 10.808 -6.009 17.595 1.00 0.00 H new ATOM 258 N LEU A 18 9.212 -9.701 19.228 1.00 0.00 N ATOM 259 CA LEU A 18 8.504 -10.724 19.989 1.00 0.00 C ATOM 260 C LEU A 18 8.320 -11.990 19.158 1.00 0.00 C ATOM 261 O LEU A 18 7.976 -13.048 19.687 1.00 0.00 O ATOM 262 CB LEU A 18 7.143 -10.198 20.446 1.00 0.00 C ATOM 263 CG LEU A 18 7.093 -8.723 20.847 1.00 0.00 C ATOM 264 CD1 LEU A 18 5.700 -8.347 21.325 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.127 -8.429 21.924 1.00 0.00 C ATOM 0 H LEU A 18 8.623 -8.933 18.905 1.00 0.00 H new ATOM 0 HA LEU A 18 9.104 -10.970 20.865 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.425 -10.360 19.642 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.811 -10.796 21.295 1.00 0.00 H new ATOM 0 HG LEU A 18 7.328 -8.119 19.971 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.684 -7.294 21.606 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.981 -8.520 20.524 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.435 -8.957 22.188 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.078 -7.375 22.198 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.922 -9.042 22.802 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.123 -8.659 21.545 1.00 0.00 H new ATOM 277 N PHE A 19 8.554 -11.876 17.855 1.00 0.00 N ATOM 278 CA PHE A 19 8.416 -13.012 16.951 1.00 0.00 C ATOM 279 C PHE A 19 9.733 -13.773 16.828 1.00 0.00 C ATOM 280 O PHE A 19 9.834 -14.931 17.237 1.00 0.00 O ATOM 281 CB PHE A 19 7.956 -12.539 15.570 1.00 0.00 C ATOM 282 CG PHE A 19 7.704 -13.662 14.605 1.00 0.00 C ATOM 283 CD1 PHE A 19 7.263 -14.895 15.057 1.00 0.00 C ATOM 284 CD2 PHE A 19 7.908 -13.484 13.246 1.00 0.00 C ATOM 285 CE1 PHE A 19 7.032 -15.930 14.171 1.00 0.00 C ATOM 286 CE2 PHE A 19 7.678 -14.515 12.355 1.00 0.00 C ATOM 287 CZ PHE A 19 7.238 -15.740 12.818 1.00 0.00 C ATOM 0 H PHE A 19 8.840 -11.008 17.401 1.00 0.00 H new ATOM 0 HA PHE A 19 7.666 -13.685 17.366 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.043 -11.954 15.681 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.712 -11.874 15.152 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.098 -15.049 16.113 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.251 -12.528 12.879 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.690 -16.887 14.536 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.842 -14.363 11.298 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.055 -16.547 12.124 1.00 0.00 H new ATOM 297 N LEU A 20 10.738 -13.115 16.262 1.00 0.00 N ATOM 298 CA LEU A 20 12.050 -13.729 16.083 1.00 0.00 C ATOM 299 C LEU A 20 12.560 -14.315 17.396 1.00 0.00 C ATOM 300 O LEU A 20 13.214 -15.358 17.410 1.00 0.00 O ATOM 301 CB LEU A 20 13.047 -12.700 15.549 1.00 0.00 C ATOM 302 CG LEU A 20 14.527 -13.043 15.729 1.00 0.00 C ATOM 303 CD1 LEU A 20 15.336 -12.560 14.535 1.00 0.00 C ATOM 304 CD2 LEU A 20 15.062 -12.437 17.018 1.00 0.00 C ATOM 0 H LEU A 20 10.670 -12.157 15.919 1.00 0.00 H new ATOM 0 HA LEU A 20 11.950 -14.538 15.360 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.855 -12.555 14.486 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.853 -11.747 16.041 1.00 0.00 H new ATOM 0 HG LEU A 20 14.624 -14.127 15.793 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.386 -12.813 14.681 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.969 -13.041 13.628 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.233 -11.479 14.439 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.116 -12.691 17.130 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.952 -11.353 16.984 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.502 -12.832 17.866 1.00 0.00 H new ATOM 316 N LEU A 21 12.254 -13.638 18.498 1.00 0.00 N ATOM 317 CA LEU A 21 12.680 -14.093 19.817 1.00 0.00 C ATOM 318 C LEU A 21 12.073 -15.453 20.147 1.00 0.00 C ATOM 319 O LEU A 21 12.772 -16.367 20.584 1.00 0.00 O ATOM 320 CB LEU A 21 12.280 -13.071 20.883 1.00 0.00 C ATOM 321 CG LEU A 21 13.242 -11.900 21.085 1.00 0.00 C ATOM 322 CD1 LEU A 21 12.611 -10.837 21.970 1.00 0.00 C ATOM 323 CD2 LEU A 21 14.554 -12.385 21.685 1.00 0.00 C ATOM 0 H LEU A 21 11.713 -12.773 18.504 1.00 0.00 H new ATOM 0 HA LEU A 21 13.765 -14.194 19.807 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.300 -12.670 20.623 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.169 -13.592 21.834 1.00 0.00 H new ATOM 0 HG LEU A 21 13.452 -11.456 20.112 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.311 -10.012 22.102 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.699 -10.468 21.501 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.371 -11.268 22.942 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.227 -11.538 21.822 1.00 0.00 H new ATOM 0 HD22 LEU A 21 14.361 -12.855 22.649 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.015 -13.110 21.014 1.00 0.00 H new ATOM 335 N VAL A 22 10.767 -15.580 19.932 1.00 0.00 N ATOM 336 CA VAL A 22 10.066 -16.830 20.203 1.00 0.00 C ATOM 337 C VAL A 22 10.507 -17.927 19.240 1.00 0.00 C ATOM 338 O VAL A 22 10.784 -19.054 19.652 1.00 0.00 O ATOM 339 CB VAL A 22 8.540 -16.651 20.096 1.00 0.00 C ATOM 340 CG1 VAL A 22 7.830 -17.973 20.346 1.00 0.00 C ATOM 341 CG2 VAL A 22 8.059 -15.586 21.070 1.00 0.00 C ATOM 0 H VAL A 22 10.173 -14.833 19.571 1.00 0.00 H new ATOM 0 HA VAL A 22 10.320 -17.122 21.222 1.00 0.00 H new ATOM 0 HB VAL A 22 8.300 -16.321 19.085 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.753 -17.828 20.267 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.153 -18.705 19.606 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.075 -18.334 21.345 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.979 -15.473 20.981 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.310 -15.884 22.088 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.544 -14.637 20.840 1.00 0.00 H new ATOM 351 N VAL A 23 10.572 -17.589 17.956 1.00 0.00 N ATOM 352 CA VAL A 23 10.981 -18.545 16.934 1.00 0.00 C ATOM 353 C VAL A 23 12.345 -19.145 17.258 1.00 0.00 C ATOM 354 O VAL A 23 12.512 -20.366 17.267 1.00 0.00 O ATOM 355 CB VAL A 23 11.038 -17.889 15.542 1.00 0.00 C ATOM 356 CG1 VAL A 23 11.289 -18.936 14.468 1.00 0.00 C ATOM 357 CG2 VAL A 23 9.754 -17.122 15.262 1.00 0.00 C ATOM 0 H VAL A 23 10.347 -16.660 17.599 1.00 0.00 H new ATOM 0 HA VAL A 23 10.232 -19.337 16.923 1.00 0.00 H new ATOM 0 HB VAL A 23 11.867 -17.182 15.526 1.00 0.00 H new ATOM 0 HG11 VAL A 23 11.326 -18.454 13.491 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.238 -19.436 14.662 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.483 -19.670 14.480 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.811 -16.665 14.274 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.906 -17.807 15.296 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.623 -16.344 16.015 1.00 0.00 H new ATOM 367 N LEU A 24 13.318 -18.280 17.523 1.00 0.00 N ATOM 368 CA LEU A 24 14.669 -18.724 17.848 1.00 0.00 C ATOM 369 C LEU A 24 14.701 -19.421 19.204 1.00 0.00 C ATOM 370 O LEU A 24 15.580 -20.242 19.470 1.00 0.00 O ATOM 371 CB LEU A 24 15.631 -17.535 17.850 1.00 0.00 C ATOM 372 CG LEU A 24 16.852 -17.658 16.937 1.00 0.00 C ATOM 373 CD1 LEU A 24 16.822 -16.586 15.859 1.00 0.00 C ATOM 374 CD2 LEU A 24 18.136 -17.565 17.749 1.00 0.00 C ATOM 0 H LEU A 24 13.197 -17.267 17.519 1.00 0.00 H new ATOM 0 HA LEU A 24 14.984 -19.437 17.086 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.075 -16.643 17.562 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.980 -17.377 18.871 1.00 0.00 H new ATOM 0 HG LEU A 24 16.823 -18.633 16.451 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.698 -16.689 15.219 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.919 -16.699 15.259 1.00 0.00 H new ATOM 0 HD13 LEU A 24 16.827 -15.601 16.325 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.995 -17.654 17.084 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.173 -16.604 18.262 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.161 -18.370 18.484 1.00 0.00 H new ATOM 386 N TYR A 25 13.738 -19.091 20.056 1.00 0.00 N ATOM 387 CA TYR A 25 13.656 -19.685 21.385 1.00 0.00 C ATOM 388 C TYR A 25 13.208 -21.141 21.304 1.00 0.00 C ATOM 389 O TYR A 25 13.823 -22.027 21.899 1.00 0.00 O ATOM 390 CB TYR A 25 12.689 -18.890 22.264 1.00 0.00 C ATOM 391 CG TYR A 25 12.597 -19.405 23.683 1.00 0.00 C ATOM 392 CD1 TYR A 25 13.712 -19.930 24.325 1.00 0.00 C ATOM 393 CD2 TYR A 25 11.396 -19.367 24.380 1.00 0.00 C ATOM 394 CE1 TYR A 25 13.632 -20.402 25.621 1.00 0.00 C ATOM 395 CE2 TYR A 25 11.308 -19.836 25.676 1.00 0.00 C ATOM 396 CZ TYR A 25 12.428 -20.353 26.293 1.00 0.00 C ATOM 397 OH TYR A 25 12.344 -20.822 27.584 1.00 0.00 O ATOM 0 H TYR A 25 13.002 -18.415 19.850 1.00 0.00 H new ATOM 0 HA TYR A 25 14.650 -19.654 21.831 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.004 -17.847 22.285 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.697 -18.914 21.813 1.00 0.00 H new ATOM 0 HD1 TYR A 25 14.656 -19.970 23.802 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.516 -18.964 23.900 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.508 -20.807 26.106 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.367 -19.798 26.204 1.00 0.00 H new ATOM 0 HH TYR A 25 11.427 -20.714 27.912 1.00 0.00 H new ATOM 407 N HIS A 26 12.131 -21.381 20.563 1.00 0.00 N ATOM 408 CA HIS A 26 11.599 -22.730 20.402 1.00 0.00 C ATOM 409 C HIS A 26 12.588 -23.618 19.654 1.00 0.00 C ATOM 410 O HIS A 26 12.776 -24.785 20.002 1.00 0.00 O ATOM 411 CB HIS A 26 10.265 -22.689 19.655 1.00 0.00 C ATOM 412 CG HIS A 26 9.075 -22.882 20.542 1.00 0.00 C ATOM 413 ND1 HIS A 26 8.417 -24.088 20.668 1.00 0.00 N ATOM 414 CD2 HIS A 26 8.424 -22.015 21.352 1.00 0.00 C ATOM 415 CE1 HIS A 26 7.413 -23.953 21.515 1.00 0.00 C ATOM 416 NE2 HIS A 26 7.396 -22.704 21.945 1.00 0.00 N ATOM 0 H HIS A 26 11.610 -20.660 20.065 1.00 0.00 H new ATOM 0 HA HIS A 26 11.438 -23.152 21.394 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.174 -21.731 19.143 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.264 -23.462 18.887 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.668 -20.974 21.504 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.723 -24.731 21.807 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.727 -22.315 22.610 1.00 0.00 H new ATOM 424 N TYR A 27 13.217 -23.060 18.626 1.00 0.00 N ATOM 425 CA TYR A 27 14.184 -23.803 17.827 1.00 0.00 C ATOM 426 C TYR A 27 15.384 -24.218 18.672 1.00 0.00 C ATOM 427 O TYR A 27 15.715 -25.401 18.764 1.00 0.00 O ATOM 428 CB TYR A 27 14.650 -22.960 16.639 1.00 0.00 C ATOM 429 CG TYR A 27 15.892 -23.497 15.965 1.00 0.00 C ATOM 430 CD1 TYR A 27 15.801 -24.419 14.929 1.00 0.00 C ATOM 431 CD2 TYR A 27 17.158 -23.085 16.365 1.00 0.00 C ATOM 432 CE1 TYR A 27 16.933 -24.913 14.311 1.00 0.00 C ATOM 433 CE2 TYR A 27 18.295 -23.573 15.752 1.00 0.00 C ATOM 434 CZ TYR A 27 18.178 -24.487 14.726 1.00 0.00 C ATOM 435 OH TYR A 27 19.309 -24.977 14.113 1.00 0.00 O ATOM 0 H TYR A 27 13.075 -22.095 18.326 1.00 0.00 H new ATOM 0 HA TYR A 27 13.695 -24.704 17.456 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.845 -22.904 15.906 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.843 -21.943 16.980 1.00 0.00 H new ATOM 0 HD1 TYR A 27 14.828 -24.755 14.602 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.254 -22.371 17.169 1.00 0.00 H new ATOM 0 HE1 TYR A 27 16.844 -25.629 13.507 1.00 0.00 H new ATOM 0 HE2 TYR A 27 19.271 -23.241 16.074 1.00 0.00 H new ATOM 0 HH TYR A 27 20.103 -24.575 14.523 1.00 0.00 H new ATOM 445 N VAL A 28 16.033 -23.236 19.290 1.00 0.00 N ATOM 446 CA VAL A 28 17.196 -23.498 20.129 1.00 0.00 C ATOM 447 C VAL A 28 16.828 -24.377 21.320 1.00 0.00 C ATOM 448 O VAL A 28 17.603 -25.240 21.730 1.00 0.00 O ATOM 449 CB VAL A 28 17.822 -22.189 20.646 1.00 0.00 C ATOM 450 CG1 VAL A 28 18.951 -22.484 21.621 1.00 0.00 C ATOM 451 CG2 VAL A 28 18.318 -21.341 19.484 1.00 0.00 C ATOM 0 H VAL A 28 15.773 -22.252 19.225 1.00 0.00 H new ATOM 0 HA VAL A 28 17.924 -24.019 19.507 1.00 0.00 H new ATOM 0 HB VAL A 28 17.055 -21.625 21.177 1.00 0.00 H new ATOM 0 HG11 VAL A 28 19.380 -21.547 21.975 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.562 -23.048 22.469 1.00 0.00 H new ATOM 0 HG13 VAL A 28 19.721 -23.069 21.119 1.00 0.00 H new ATOM 0 HG21 VAL A 28 18.757 -20.420 19.867 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.070 -21.896 18.924 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.482 -21.099 18.828 1.00 0.00 H new ATOM 461 N ALA A 29 15.639 -24.151 21.869 1.00 0.00 N ATOM 462 CA ALA A 29 15.166 -24.924 23.011 1.00 0.00 C ATOM 463 C ALA A 29 14.958 -26.387 22.635 1.00 0.00 C ATOM 464 O ALA A 29 15.153 -27.283 23.457 1.00 0.00 O ATOM 465 CB ALA A 29 13.876 -24.328 23.554 1.00 0.00 C ATOM 0 H ALA A 29 14.986 -23.439 21.542 1.00 0.00 H new ATOM 0 HA ALA A 29 15.929 -24.881 23.789 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.534 -24.915 24.406 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.055 -23.300 23.870 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.113 -24.341 22.775 1.00 0.00 H new ATOM 471 N VAL A 30 14.561 -26.622 21.389 1.00 0.00 N ATOM 472 CA VAL A 30 14.327 -27.977 20.904 1.00 0.00 C ATOM 473 C VAL A 30 15.603 -28.585 20.332 1.00 0.00 C ATOM 474 O VAL A 30 15.744 -29.805 20.261 1.00 0.00 O ATOM 475 CB VAL A 30 13.229 -28.005 19.824 1.00 0.00 C ATOM 476 CG1 VAL A 30 13.075 -29.408 19.255 1.00 0.00 C ATOM 477 CG2 VAL A 30 11.910 -27.503 20.393 1.00 0.00 C ATOM 0 H VAL A 30 14.395 -25.892 20.697 1.00 0.00 H new ATOM 0 HA VAL A 30 13.999 -28.567 21.760 1.00 0.00 H new ATOM 0 HB VAL A 30 13.525 -27.340 19.012 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.295 -29.408 18.494 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.018 -29.725 18.809 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.802 -30.097 20.054 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.145 -27.529 19.617 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.606 -28.140 21.224 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.033 -26.479 20.747 1.00 0.00 H new ATOM 487 N ASN A 31 16.531 -27.724 19.926 1.00 0.00 N ATOM 488 CA ASN A 31 17.796 -28.175 19.359 1.00 0.00 C ATOM 489 C ASN A 31 18.854 -28.335 20.447 1.00 0.00 C ATOM 490 O ASN A 31 19.849 -29.034 20.262 1.00 0.00 O ATOM 491 CB ASN A 31 18.286 -27.187 18.298 1.00 0.00 C ATOM 492 CG ASN A 31 18.095 -27.711 16.888 1.00 0.00 C ATOM 493 OD1 ASN A 31 17.026 -27.272 16.233 1.00 0.00 O flip ATOM 494 ND2 ASN A 31 18.899 -28.502 16.393 1.00 0.00 N flip ATOM 0 H ASN A 31 16.430 -26.710 19.979 1.00 0.00 H new ATOM 0 HA ASN A 31 17.630 -29.146 18.892 1.00 0.00 H new ATOM 0 HB2 ASN A 31 17.750 -26.244 18.408 1.00 0.00 H new ATOM 0 HB3 ASN A 31 19.342 -26.974 18.464 1.00 0.00 H new ATOM 0 HD21 ASN A 31 19.707 -28.813 16.933 1.00 0.00 H new ATOM 0 HD22 ASN A 31 18.757 -28.846 15.443 1.00 0.00 H new ATOM 501 N ASN A 32 18.629 -27.682 21.583 1.00 0.00 N ATOM 502 CA ASN A 32 19.562 -27.751 22.702 1.00 0.00 C ATOM 503 C ASN A 32 18.997 -28.612 23.828 1.00 0.00 C ATOM 504 O ASN A 32 17.888 -28.391 24.315 1.00 0.00 O ATOM 505 CB ASN A 32 19.870 -26.346 23.224 1.00 0.00 C ATOM 506 CG ASN A 32 20.675 -25.526 22.234 1.00 0.00 C ATOM 507 OD1 ASN A 32 20.819 -25.902 21.071 1.00 0.00 O ATOM 508 ND2 ASN A 32 21.204 -24.398 22.694 1.00 0.00 N ATOM 0 H ASN A 32 17.809 -27.099 21.753 1.00 0.00 H new ATOM 0 HA ASN A 32 20.485 -28.209 22.346 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.935 -25.830 23.444 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.421 -26.422 24.162 1.00 0.00 H new ATOM 0 HD21 ASN A 32 21.756 -23.804 22.075 1.00 0.00 H new ATOM 0 HD22 ASN A 32 21.058 -24.126 23.666 1.00 0.00 H new ATOM 515 N PRO A 33 19.778 -29.616 24.254 1.00 0.00 N ATOM 516 CA PRO A 33 19.378 -30.529 25.328 1.00 0.00 C ATOM 517 C PRO A 33 19.349 -29.844 26.690 1.00 0.00 C ATOM 518 O PRO A 33 18.835 -30.396 27.664 1.00 0.00 O ATOM 519 CB PRO A 33 20.461 -31.611 25.296 1.00 0.00 C ATOM 520 CG PRO A 33 21.650 -30.938 24.703 1.00 0.00 C ATOM 521 CD PRO A 33 21.112 -29.937 23.719 1.00 0.00 C ATOM 0 HA PRO A 33 18.368 -30.913 25.182 1.00 0.00 H new ATOM 0 HB2 PRO A 33 20.676 -31.986 26.297 1.00 0.00 H new ATOM 0 HB3 PRO A 33 20.149 -32.466 24.696 1.00 0.00 H new ATOM 0 HG2 PRO A 33 22.245 -30.447 25.473 1.00 0.00 H new ATOM 0 HG3 PRO A 33 22.301 -31.660 24.209 1.00 0.00 H new ATOM 0 HD2 PRO A 33 21.745 -29.052 23.660 1.00 0.00 H new ATOM 0 HD3 PRO A 33 21.052 -30.354 22.714 1.00 0.00 H new ATOM 529 N LYS A 34 19.904 -28.639 26.753 1.00 0.00 N ATOM 530 CA LYS A 34 19.941 -27.877 27.996 1.00 0.00 C ATOM 531 C LYS A 34 19.477 -26.441 27.767 1.00 0.00 C ATOM 532 O LYS A 34 20.255 -25.497 27.908 1.00 0.00 O ATOM 533 CB LYS A 34 21.356 -27.881 28.579 1.00 0.00 C ATOM 534 CG LYS A 34 22.017 -29.248 28.561 1.00 0.00 C ATOM 535 CD LYS A 34 23.210 -29.278 27.620 1.00 0.00 C ATOM 536 CE LYS A 34 23.804 -30.674 27.517 1.00 0.00 C ATOM 537 NZ LYS A 34 24.807 -30.930 28.587 1.00 0.00 N ATOM 0 H LYS A 34 20.335 -28.168 25.957 1.00 0.00 H new ATOM 0 HA LYS A 34 19.262 -28.351 28.705 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.974 -27.181 28.017 1.00 0.00 H new ATOM 0 HB3 LYS A 34 21.318 -27.519 29.606 1.00 0.00 H new ATOM 0 HG2 LYS A 34 22.340 -29.510 29.568 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.291 -30.000 28.253 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.903 -28.938 26.631 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.971 -28.583 27.974 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.006 -31.414 27.582 1.00 0.00 H new ATOM 0 HE3 LYS A 34 24.274 -30.798 26.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.189 -31.892 28.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.581 -30.240 28.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.353 -30.837 29.518 1.00 0.00 H new ATOM 551 N LYS A 35 18.206 -26.284 27.416 1.00 0.00 N ATOM 552 CA LYS A 35 17.637 -24.964 27.171 1.00 0.00 C ATOM 553 C LYS A 35 17.978 -24.005 28.307 1.00 0.00 C ATOM 554 O LYS A 35 18.408 -24.428 29.380 1.00 0.00 O ATOM 555 CB LYS A 35 16.118 -25.061 27.010 1.00 0.00 C ATOM 556 CG LYS A 35 15.677 -26.167 26.068 1.00 0.00 C ATOM 557 CD LYS A 35 15.163 -27.377 26.830 1.00 0.00 C ATOM 558 CE LYS A 35 13.646 -27.359 26.948 1.00 0.00 C ATOM 559 NZ LYS A 35 13.176 -28.067 28.171 1.00 0.00 N ATOM 0 H LYS A 35 17.549 -27.055 27.295 1.00 0.00 H new ATOM 0 HA LYS A 35 18.069 -24.576 26.249 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.667 -25.227 27.988 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.738 -24.108 26.641 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.895 -25.793 25.407 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.514 -26.463 25.436 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.479 -28.289 26.323 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.606 -27.396 27.826 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.296 -26.327 26.969 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.208 -27.827 26.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.137 -28.032 28.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.488 -29.058 28.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.574 -27.605 29.014 1.00 0.00 H new ATOM 573 N GLN A 36 17.783 -22.713 28.064 1.00 0.00 N ATOM 574 CA GLN A 36 18.069 -21.695 29.068 1.00 0.00 C ATOM 575 C GLN A 36 17.262 -21.941 30.338 1.00 0.00 C ATOM 576 O GLN A 36 17.691 -21.587 31.436 1.00 0.00 O ATOM 577 CB GLN A 36 17.761 -20.302 28.516 1.00 0.00 C ATOM 578 CG GLN A 36 16.404 -20.203 27.839 1.00 0.00 C ATOM 579 CD GLN A 36 15.613 -18.991 28.291 1.00 0.00 C ATOM 580 OE1 GLN A 36 15.851 -17.874 27.833 1.00 0.00 O ATOM 581 NE2 GLN A 36 14.666 -19.207 29.197 1.00 0.00 N ATOM 0 H GLN A 36 17.428 -22.346 27.181 1.00 0.00 H new ATOM 0 HA GLN A 36 19.129 -21.753 29.316 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.805 -19.579 29.331 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.536 -20.024 27.801 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.544 -20.159 26.759 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.830 -21.106 28.050 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.503 -20.150 29.549 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.102 -18.430 29.540 1.00 0.00 H new ATOM 590 N GLU A 37 16.090 -22.549 30.181 1.00 0.00 N ATOM 591 CA GLU A 37 15.222 -22.841 31.316 1.00 0.00 C ATOM 592 C GLU A 37 15.715 -24.069 32.076 1.00 0.00 C ATOM 593 O GLU A 37 15.076 -24.522 33.024 1.00 0.00 O ATOM 594 CB GLU A 37 13.784 -23.064 30.843 1.00 0.00 C ATOM 595 CG GLU A 37 12.756 -22.260 31.621 1.00 0.00 C ATOM 596 CD GLU A 37 11.356 -22.828 31.497 1.00 0.00 C ATOM 597 OE1 GLU A 37 10.947 -23.154 30.362 1.00 0.00 O ATOM 598 OE2 GLU A 37 10.668 -22.946 32.532 1.00 0.00 O ATOM 0 H GLU A 37 15.720 -22.849 29.279 1.00 0.00 H new ATOM 0 HA GLU A 37 15.247 -21.984 31.989 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.713 -22.803 29.787 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.543 -24.124 30.927 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.041 -22.233 32.673 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.759 -21.230 31.264 1.00 0.00 H new TER 605 GLU A 37